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CAS 625458-06-2 1-(3-CHLOROPHENYL)-5-TRIFLUOROMETHYL-3-HYDROBENZIMIDAZOL-2-ONE molecular structure lightbox
CAS RN: 625458-06-2

1-(3-CHLOROPHENYL)-5-TRIFLUOROMETHYL-3-HYDROBENZIMIDAZOL-2-ONE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251015 10mg / 25mg / 50mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS625458-06-2
  • Purity/Analytical Methods: >99.0%
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625458-06-2 / 3-(3-chlorophenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one

Standard CAS: 625458-06-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
625458-06-2
Multi CAS
No
Molecular Formula
C14H8CLF3N2O
Molecular Weight
312.670000
Exact Mass
312.027725
InChI
InChI=1S/C14H8ClF3N2O/c15-9-2-1-3-10(7-9)20-12-5-4-8(14(16,17)18)6-11(12)19-13(20)21/h1-7H,(H,19,21)
InChIKey
NMPJFFWYEIIGFW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
73.91
TPSA
37.79

LogP / Solubility

WLOGP
3.99
MLOGP
3.53
XLogP3
3.8
Consensus LogP
3.77
Log S (ESOL)
-4.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.12
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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